2-[4-(hydroxymethyl)-2-methoxyphenoxy]-3-methoxypropanehydrazide

C12H18N2O5 — CID 107744970

IUPAC2-[4-(hydroxymethyl)-2-methoxyphenoxy]-3-methoxypropanehydrazide
SMILESCOCC(Oc1ccc(CO)cc1OC)C(=O)NN
InChIInChI=1S/C12H18N2O5/c1-17-7-11(12(16)14-13)19-9-4-3-8(6-15)5-10(9)18-2/h3-5,11,15H,6-7,13H2,1-2H3,(H,14,16)
InChIKeyKTARUOLGEQFFEW-UHFFFAOYSA-N
MW270.28 g/mol
LogP-0.43
Rot. Bonds7

About 2-[4-(hydroxymethyl)-2-methoxyphenoxy]-3-methoxypropanehydrazide

2-[4-(hydroxymethyl)-2-methoxyphenoxy]-3-methoxypropanehydrazide (PubChem CID 107744970) has the molecular formula C12H18N2O5 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)-2-methoxyphenoxy]-3-methoxypropanehydrazide.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)-2-methoxyphenoxy]-3-methoxypropanehydrazide
PubChem CID107744970
Molecular FormulaC12H18N2O5
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name2-[4-(hydroxymethyl)-2-methoxyphenoxy]-3-methoxypropanehydrazide
SMILESCOCC(Oc1ccc(CO)cc1OC)C(=O)NN
InChIInChI=1S/C12H18N2O5/c1-17-7-11(12(16)14-13)19-9-4-3-8(6-15)5-10(9)18-2/h3-5,11,15H,6-7,13H2,1-2H3,(H,14,16)
InChIKeyKTARUOLGEQFFEW-UHFFFAOYSA-N
XLogP-0.43
TPSA103.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromo-4-methoxyphenoxy)-3-methoxypropanehydrazide
CID 103229405
2-(2-methoxy-4-methylphenoxy)butanehydrazide
CID 63576549
2-(2-chloro-4-fluorophenoxy)-3-methoxypropanehydrazide
CID 103229273
ethyl 2-[5-(hydroxymethyl)-2-methoxyphenoxy]butanoate
CID 64662769
[4-(1-aminopropan-2-yloxy)-3-methoxyphenyl]methanol
CID 107742816
2-(2-chloro-4-nitrophenoxy)-3-methoxypropanehydrazide
CID 103229182
2-(4-chloro-2-nitrophenoxy)-3-methoxypropanehydrazide
CID 103229241
2-(2-fluoro-4-nitrophenoxy)-3-methoxypropanehydrazide
CID 103229297
2-(2-methoxy-4-prop-1-enylphenoxy)butanehydrazide
CID 76999474
2-(3-bromophenoxy)-3-methoxypropanehydrazide
CID 103229217
2-(3-fluorophenoxy)-3-methoxypropanehydrazide
CID 103229222
3-methoxy-2-(2-methyl-5-nitrophenoxy)propanehydrazide
CID 103229305

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)-2-methoxyphenoxy]-3-methoxypropanehydrazide?
The IUPAC name of 2-[4-(hydroxymethyl)-2-methoxyphenoxy]-3-methoxypropanehydrazide (CID 107744970) is 2-[4-(hydroxymethyl)-2-methoxyphenoxy]-3-methoxypropanehydrazide.
What is the SMILES notation for 2-[4-(hydroxymethyl)-2-methoxyphenoxy]-3-methoxypropanehydrazide?
The canonical SMILES for 2-[4-(hydroxymethyl)-2-methoxyphenoxy]-3-methoxypropanehydrazide is COCC(Oc1ccc(CO)cc1OC)C(=O)NN.
What is the InChIKey of 2-[4-(hydroxymethyl)-2-methoxyphenoxy]-3-methoxypropanehydrazide?
The InChIKey is KTARUOLGEQFFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5/c1-17-7-11(12(16)14-13)19-9-4-3-8(6-15)5-10(9)18-2/h3-5,11,15H,6-7,13H2,1-2H3,(H,14,16).
What are the key properties of 2-[4-(hydroxymethyl)-2-methoxyphenoxy]-3-methoxypropanehydrazide?
2-[4-(hydroxymethyl)-2-methoxyphenoxy]-3-methoxypropanehydrazide has a molecular weight of 270.28 g/mol, XLogP of -0.43, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)-2-methoxyphenoxy]-3-methoxypropanehydrazide is sourced from PubChem (CID 107744970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).